[5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone CAS Name: [5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-ylmethanone Traditional Name: [5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone Formula: C27H31N2O5S+ MolecularWeight: 495.61044

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCSCC4)O)CC5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCSCC4)O)CC5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C27H30N2O5S/c30-26(29-9-13-35-14-10-29)25-17-20-16-21(2-4-22(20)34-25)27(31)5-7-28(8-6-27)18-19-1-3-23-24(15-19)33-12-11-32-23/h1-4,15-17,31H,5-14,18H2/p+1